3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide

C20H29N3O5 — CID 142626204

IUPAC3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C(C(=O)N1COC(O)C1Cc1ccccc1)C1COCCN1C(N)=O
InChIInChI=1S/C20H29N3O5/c1-13(2)17(16-11-27-9-8-22(16)20(21)26)18(24)23-12-28-19(25)15(23)10-14-6-4-3-5-7-14/h3-7,13,15-17,19,25H,8-12H2,1-2H3,(H2,21,26)
InChIKeyZWYYULLXBQTKQN-UHFFFAOYSA-N
MW391.47 g/mol
LogP0.78
Rot. Bonds5

About 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide

3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide (PubChem CID 142626204) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide
PubChem CID142626204
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C(C(=O)N1COC(O)C1Cc1ccccc1)C1COCCN1C(N)=O
InChIInChI=1S/C20H29N3O5/c1-13(2)17(16-11-27-9-8-22(16)20(21)26)18(24)23-12-28-19(25)15(23)10-14-6-4-3-5-7-14/h3-7,13,15-17,19,25H,8-12H2,1-2H3,(H2,21,26)
InChIKeyZWYYULLXBQTKQN-UHFFFAOYSA-N
XLogP0.78
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4S,5R)-4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 54296386
benzyl N-[1-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-3-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 139783814
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
4-[(2R)-2-hydroxy-4-phenylbutanoyl]morpholine-3-carboxamide
CID 173197768
3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid
CID 68733888
[4-benzyl-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-1,3-oxazolidin-5-yl] acetate
CID 74992060
[(2S,3R)-2-benzyl-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97392059
benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 11737177
[1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 142626218
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one
CID 70780262

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide?
The IUPAC name of 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide (CID 142626204) is 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide is CC(C)C(C(=O)N1COC(O)C1Cc1ccccc1)C1COCCN1C(N)=O.
What is the InChIKey of 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide?
The InChIKey is ZWYYULLXBQTKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-13(2)17(16-11-27-9-8-22(16)20(21)26)18(24)23-12-28-19(25)15(23)10-14-6-4-3-5-7-14/h3-7,13,15-17,19,25H,8-12H2,1-2H3,(H2,21,26).
What are the key properties of 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide?
3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 142626204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).